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Nicotinic Acid-13C6

CAT: 0024-sc-219367Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-219367Size:1 mg
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CAS Number
1189954-79-7

Chemical Information

(~13~C_5_)Pyridine-3-(~13~C)carboxylic acid
CAS Number1189954-79-7
PubChem CID45040022
IUPAC Name(2,3,4,5,6-13C5)pyridine-3-carboxylic acid
Molecular FormulaC6H5NO2
Molecular Weight129.066
XLogP0.4
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity114
SMILES
[13CH]1=[13CH][13C](=[13CH]N=[13CH]1)[13C](=O)O
InChI
InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
PVNIIMVLHYAWGP-IDEBNGHGSA-N
Chemical Structure
2D Structure
2D structure of (~13~C_5_)Pyridine-3-(~13~C)carboxylic acid
CAS: 1189954-79-7
CID: 45040022
Formula: C6H5NO2
MW: 129.066
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight129.066
XLogP30.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass129.05215741
Monoisotopic Mass129.05215741
Topological Polar Surface Area50.2 Ų
Heavy Atom Count9
Formal Charge0
Complexity114
Isotope Atom Count6
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-N429252-1MGNicotinic Acid-13C6
MBS6096153-01Nicotinic Acid-13C6,d4
NN183762Nicotinic acid-13C6 riboside
018111Nicotinic Acid-13C6, d4
018114Nicotinic Acid-13C6, d4 N-Hydroxysuccinimide Ester
TRC-KIT1587-1X1MLNicotinic Acid-13C6 (100 μg/ml in methanol)
460742-01Nicotinic Acid-13C6 (100ug/ml in methanol) discontinued
TRC-N429257-5MGNicotinic Acid-13C6,d4 N-Hydroxysuccinimide Ester
N2563-30Nicotinic Acid-1,2’,3’,4’,5’,6’-13C6
MBS6067340-01Nicotinic Acid-1,2',3',4',5',6'-13C6

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